2-(1-oxidanyl-3-phenoxy-propan-2-yl)sulfanylbenzoic acid

Systemtic Name: 2-(1-oxidanyl-3-phenoxy-propan-2-yl)sulfanylbenzoic acid Openeye Name: 2-[1-(hydroxymethyl)-2-phenoxy-ethyl]sulfanylbenzoic acid CAS Name: 2-[(1-hydroxy-3-phenoxypropan-2-yl)thio]benzoic acid IUPAC Name: 2-(1-hydroxy-3-phenoxypropan-2-yl)sulfanylbenzoic acid Traditional Name: 2-[(1-methylol-2-phenoxy-ethyl)thio]benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CO)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CO)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H16O4S/c17-10-13(11-20-12-6-2-1-3-7-12)21-15-9-5-4-8-14(15)16(18)19/h1-9,13,17H,10-11H2,(H,18,19)